Accurate Calculation of Barnase and SNase Folding Energetics Using Short Molecular Dynamics Simulations and an Atomistic Model of the Unfolded Ensemble: Evaluation of Force Fields and Water Models-Reference-Cited by-同舟云学术

Accurate Calculation of Barnase and SNase Folding Energetics Using Short Molecular Dynamics Simulations and an Atomistic Model of the Unfolded Ensemble: Evaluation of Force Fields and Water Models

Published:2019-09-12 Issue:10 Volume:59 Page:4350-4360
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Galano-Frutos Juan José¹²^ORCID,Sancho Javier¹²³^ORCID

Affiliation:

1. Department of Biochemistry and Molecular and Cellular Biology, University of Zaragoza, Pedro Cerbuna 12, Zaragoza 50009, Spain

2. Biocomputation and Complex Systems Physics Institute (Joint Units: BIFI-IQFR (CSIC) and GBsC-CSIC), University of Zaragoza, Mariano Esquillor s/n, Edificio I + D, Zaragoza 50018, Spain

3. Aragon Health Research Institute (IIS Aragón), Avda. San Juan Bosco 13, Zaragoza 50009, Spain

Funder

Secretar?a de Estado de Investigaci?n, Desarrollo e Innovaci?n

Gobierno de Arag?n

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.9b00430

Reference45 articles.

1. The Protein-Folding Problem, 50 Years On